SCHEMBL20545902

SCHEMBL20545902

NC(CC(=O)O)c1cc(F)cc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.64
MME P08473 1/20 0.48
SLC13A5 Q86YT5 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20545899 1.00 CTSA (0.64) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL20546028 0.89 CTSA (0.61) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL20546029 0.89 CTSA (0.61) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL20546119 0.88 CTSA (0.53) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL20545937 0.88 CTSA (0.54) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL20546118 0.88 CTSA (0.53) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL20545936 0.88 CTSA (0.54) CTSAMMESLC13A5FFAR1FFAR4
SCHEMBL30671485 0.86 CTSA (0.55) CTSAMMESLC13A5DHODH
SCHEMBL20546367 0.86 FFAR1 (0.52) CTSAMMEFFAR1FFAR4KMT2A
SCHEMBL20546364 0.86 FFAR1 (0.52) CTSAMMEFFAR1FFAR4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885MME 3180/4885SLC13A5 772/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885MME 3180/4885SLC13A5 772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.